(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane

C17H26BNSi — CID 162413527

IUPAC(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=CB1Cc1ccccc1
InChIInChI=1S/C17H26BNSi/c1-17(2,3)20(4,5)19-14-10-9-13-18(19)15-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3
InChIKeyJNDSRRRVJJBJOR-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.69
Rot. Bonds3

About (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane

(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 162413527) has the molecular formula C17H26BNSi and a molecular weight of 283.30 g/mol. Its IUPAC name is (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane
PubChem CID162413527
Molecular FormulaC17H26BNSi
Molecular Weight283.30 g/mol
Exact Mass283.19
IUPAC Name(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=CB1Cc1ccccc1
InChIInChI=1S/C17H26BNSi/c1-17(2,3)20(4,5)19-14-10-9-13-18(19)15-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3
InChIKeyJNDSRRRVJJBJOR-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane (CID 162413527) is (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)N1C=CC=CB1Cc1ccccc1.
What is the InChIKey of (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The InChIKey is JNDSRRRVJJBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNSi/c1-17(2,3)20(4,5)19-14-10-9-13-18(19)15-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3.
What are the key properties of (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane?
(2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 283.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylazaborinin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 162413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).